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5-(methylsulfanyl)pentyl-desulfoglucosinolate

Properties

Image

Occurences in reactions

MNX_ID

MNXM10336

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₃H₂₅NO₆S₂

charge

mass

355.11233

reference

InChIKey

HKIBRYCZLMJRFT-KHXSHCKASA-N

InChI

InChI=1S/C13H25NO6S2/c1-21-6-4-2-3-5-9(14-19)22-13-12(18)11(17)10(16)8(7-15)20-13/h8,10-13,15-19H,2-7H2,1H3/b14-9+/t8-,10-,11+,12-,13+/m1/s1

SMILES

CSCCCCC/C(=N\O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPDQT-285 metacycM:CPDQT-285	5-(methylsulfanyl)pentyl-desulfoglucosinolate 5-(methylthio)pentyl-desulfoglucosinolate
seed.compound:cpd26624 seedM:cpd26624	5-methylthiopentyldesulfoglucosinolate 5-(methylsulfanyl)pentyl-desulfoglucosinolate 5-(methylthio)pentyl-desulfoglucosinolate
seedM:M_cpd26624	secondary/obsolete/fantasy identifier